3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C20H19FN2O4S — CID 108780466

IUPAC3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2noc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C20H19FN2O4S/c1-13-3-8-18(26-2)19(11-13)28(24,25)23-10-9-17-16(12-23)20(27-22-17)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIGRGQLWDSZNVIG-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.54
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 108780466) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID108780466
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2noc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C20H19FN2O4S/c1-13-3-8-18(26-2)19(11-13)28(24,25)23-10-9-17-16(12-23)20(27-22-17)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIGRGQLWDSZNVIG-UHFFFAOYSA-N
XLogP3.54
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780248
N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
CID 108780450
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
7-chloro-2-(2-methoxy-5-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089861
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110726130
2-(2-tert-butyl-4-methoxyphenoxy)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751259
6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108783292
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
5-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 46096596
N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525404
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 108780466) is 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is COc1ccc(C)cc1S(=O)(=O)N1CCc2noc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is IGRGQLWDSZNVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-13-3-8-18(26-2)19(11-13)28(24,25)23-10-9-17-16(12-23)20(27-22-17)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 402.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 108780466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).